Geometry & MOs

Info

ID:	343517
PubChem CID:	127266690
Reduced:	FN3O3C15H22 (1)
Stoich.:	AB3C3D15E22 (1)
Weight, g/mol:	311.128134
ΔH_f, kcal/mol:	-160.29
Dipole, Da:	5.55
IP(EA), eV:	-8.95(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-fluoro-2-[1-(4-methyl-3-nitropyridin-2-yl)pyrrolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1CCN(C1)C2=NC(=NC(=C2)C)COC)F

DOS

IR

Vibrations